General Information of the Compound
| Compound ID |
CP0474083
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| Compound Name |
6-[6-[3-(dimethylamino)propoxy]pyridin-3-yl]-4-[[(1S)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-N-methylcinnoline-3-carboxamide
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| Structure |
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| Formula |
C27H34N8O2
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| Molecular Weight |
502.623
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| Canonical SMILES |
CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)c1nn(C)cc1C)-c1ccc(OCCCN(C)C)nc1
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| InChI |
InChI=1S/C27H34N8O2/c1-17-16-35(6)33-24(17)18(2)30-25-21-14-19(8-10-22(21)31-32-26(25)27(36)28-3)20-9-11-23(29-15-20)37-13-7-12-34(4)5/h8-11,14-16,18H,7,12-13H2,1-6H3,(H,28,36)(H,30,31)/t18-/m0/s1
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| InChIKey |
IIPXDBRFRKJQIH-SFHVURJKSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR